Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02233993
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
SHV![]() | HEPTANOIC ACID | A | 1PO8 | 0.71 | ![]() |
LAF![]() | 5-FLUOROLEVULINIC ACID | A,B | 1GZG | 0.71 | ![]() |
COI![]() | 2-OXO-4-METHYLPENTANOIC ACID | A,B | 1QS0 | 0.8 | ![]() |
COI![]() | 2-OXO-4-METHYLPENTANOIC ACID | A,C | 1UMD | 0.8 | ![]() |
COI![]() | 2-OXO-4-METHYLPENTANOIC ACID | A | 1DXY | 0.8 | ![]() |
COI![]() | 2-OXO-4-METHYLPENTANOIC ACID | A,B | 2HDK | 0.8 | ![]() |
COI![]() | 2-OXO-4-METHYLPENTANOIC ACID | A | 1HJF | 0.8 | ![]() |
KIV![]() | 3-METHYL-2-OXOBUTANOIC ACID | A,B | 1KTA | 0.71 | ![]() |
KIV![]() | 3-METHYL-2-OXOBUTANOIC ACID | A | 1HJG | 0.71 | ![]() |
KIV![]() | 3-METHYL-2-OXOBUTANOIC ACID | A,B | 1SR9 | 0.71 | ![]() |
KIV![]() | 3-METHYL-2-OXOBUTANOIC ACID | A,B,C,D,E | 1O68 | 0.71 | ![]() |
HCT![]() | (2R)-butane-1,2,4-tricarboxylic acid | A,B,C | 3DP8 | 0.78 | ![]() |
HCT![]() | (2R)-butane-1,2,4-tricarboxylic acid | A,B,C | 3E3K | 0.78 | ![]() |
SHF![]() | LAEVULINIC ACID | A | 1YLV | 0.79 | ![]() |
SHF![]() | LAEVULINIC ACID | A | 1H7N | 0.79 | ![]() |
3PA![]() | 3-CYCLOPENTYL-PROPIONIC ACID | C | 1FAV | 0.7 | ![]() |
KTA![]() | (S)-CYCLOHEXANONE-2-ACETATE | A,B | 2J5S | 0.7 | ![]() |
4OX![]() | 4-OXODECANEDIOIC ACID | A,B | 1L6Y | 0.72 | ![]() |
4OX![]() | 4-OXODECANEDIOIC ACID | A | 1GJP | 0.72 | ![]() |
2PP![]() | 2-PROPYL-PENTANOIC ACID | P | 1DIT | 0.74 | ![]() |
LNG![]() | 12-METHYLTRIDECANOIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W3M | 0.74 | ![]() |
4MV![]() | 4-METHYL VALERIC ACID | A,B,C | 1I1M | 0.79 | ![]() |
4MV![]() | 4-METHYL VALERIC ACID | A,B,C | 2EIY | 0.79 | ![]() |
4MV![]() | 4-METHYL VALERIC ACID | A | 2ECO | 0.79 | ![]() |
4MV![]() | 4-METHYL VALERIC ACID | A,C,D | 1UMC | 0.79 | ![]() |
4MV![]() | 4-METHYL VALERIC ACID | A,B | 2COG | 0.79 | ![]() |
DSB![]() | 4,7-DIOXOSEBACIC ACID | A,B | 1I8J | 0.73 | ![]() |
DSB![]() | 4,7-DIOXOSEBACIC ACID | A | 1EB3 | 0.73 | ![]() |
DSB![]() | 4,7-DIOXOSEBACIC ACID | A,B | 1L6S | 0.73 | ![]() |
DSB![]() | 4,7-DIOXOSEBACIC ACID | A,B | 2C1H | 0.73 | ![]() |
3OC![]() | (1R)-3-oxocyclohexanecarboxylic acid | A,B | 3DZL | 0.82 | ![]() |
LTL![]() | 6-HYDROXY-6-METHYL-HEPTAN-3-ONE | A | 1I05 | 0.73 | ![]() |
4AT![]() | 5-OXOHEXANOIC ACID | A,B | 2EFY | 0.76 | ![]() |
0PA![]() | cyclopentylacetic acid | A,B | 3DWR | 0.73 | ![]() |
GVM![]() | (3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID | A,B | 2UW1 | 0.7 | ![]() |
6NA![]() | HEXANOIC ACID | A,B | 2IX4 | 0.77 | ![]() |
6NA![]() | HEXANOIC ACID | A,B | 2IWZ | 0.77 | ![]() |
6NA![]() | HEXANOIC ACID | A | 2IQ0 | 0.77 | ![]() |
LML![]() | ISOBUTYL MALONIC ACID | A | 1BFW | 0.7 | ![]() |
CCM![]() | 1-METHYL-1-CARBOXY-CYCLOPENTANE | A | 1THL | 0.75 | ![]() |
SHU![]() | 4,6-DIOXOHEPTANOIC ACID | A | 1H7R | 0.77 | ![]() |